General Information of the Compound
| Compound ID |
CP0208859
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| Compound Name |
alkynyl ether, 35
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| Structure |
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| Formula |
C29H34O6S
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| Molecular Weight |
510.652
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| Canonical SMILES |
CCC#CCOc1cc(COC2CCOCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
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| InChI |
InChI=1S/C29H34O6S/c1-2-3-6-15-33-26-18-21(19-34-22-13-16-32-17-14-22)9-11-28(26)36-27-12-10-25(35-20-29(30)31)23-7-4-5-8-24(23)27/h9-12,18,22H,2,4-5,7-8,13-17,19-20H2,1H3,(H,30,31)
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| InChIKey |
ZCKPNGWVLHEGFP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma